2024-06-29_00000104
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ligand
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8RPO
BFL1 in complex with a reversible covalent ligand;
X-ray diffraction 1.79Å
Protein #1
152 residues (97% resolved)
Raw Sequence ...
GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEFEDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK
Canonical Sequence ...
GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNVNVVSVDTARTLFNQVMEKEFEDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEISYFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK
Non polymer #2
A1H2C
InChI=1S/C23H22F3N2O2P/c1-31(2,30)20-6-4-3-5-16(20)13-17(14-27)21(29)28-15-22(11-12-22)18-7-9-19(10-8-18)23(24,25)26/h3-10,13H,11-12,15H2,1-2H3,(H,28,29)
InChI=1S/C23H22F3N2O2P/c1-31(2,30)20-6-4-3-5-16(20)13-17(14-27)21(29)28-15-22(11-12-22)18-7-9-19(10-8-18)23(24,25)26/h3-10,13H,11-12,15H2,1-2H3,(H,28,29)
SMILES: CP(=O)(C)c1ccccc1/C=C(C#N)/C(=O)NCC2(CC2)c3ccc(cc3)C(F)(F)F
CP(=O)(C)c1ccccc1/C=C(C#N)/C(=O)NCC2(CC2)c3ccc(cc3)C(F)(F)F
Biounit #1
monomer
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Model
Reference
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